2-(prop-2-enylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(prop-2-enylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(allylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[(prop-2-enylthio)methyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(prop-2-enylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[(allylthio)methyl]-3H-benzimidazole-5-sulfonic acid Formula: C11H12N2O3S2 MolecularWeight: 284.35458

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C=CCSCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C11H12N2O3S2/c1-2-5-17-7-11-12-9-4-3-8(18(14,15)16)6-10(9)13-11/h2-4,6H,1,5,7H2,(H,12,13)(H,14,15,16)